SCHEMBL6803140

SCHEMBL6803140

N#Cc1cnc(Nc2cc(N3CCN(CCCN4CCOCC4)CC3)ncn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
KIT P10721 3/20 0.46
FLT3 P36888 2/20 0.46
ABL1 P00519 1/20 0.44
DDR1 Q08345 1/20 0.44
DDR2 Q16832 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5889097 0.97 KDR (1.00) KDRKITFLT3ABL1DDR1
SCHEMBL6808204 0.89 KDR (1.00) KDRKITFLT3
SCHEMBL5889029 0.89 KDR (0.84) KDRABL1
SCHEMBL4594054 0.85 KDR (0.74) KDRABL1
SCHEMBL5889140 0.84 KDR (0.80) KDRKITFLT3
SCHEMBL5889145 0.84 KDR (0.80) KDRKITFLT3
SCHEMBL5889020 0.84 KDR (0.76) KDRKIT
SCHEMBL5889087 0.84 KDR (0.76) KDRKITABL1DDR1DDR2
SCHEMBL7692339 0.83 KDR (1.00) KDRKITFLT3ABL1
SCHEMBL5889219 0.83 KDR (0.75) KDRKITFLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885KIT 957/4885FLT3 63/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885KIT 957/4885FLT3 63/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.